Methane → 2-(2-Aminophenyl)-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Reaction equation
[C:38].[CH3:1][c:2]1[c:3](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:4]([N:22]2[CH2:23][CH:24]([N:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]2)[c:5]2[c:6]([n:7][c:8](-[c:10]3[c:11]([N+:16]([O-:17])=[O:18])[cH:12][cH:13][cH:14][cH:15]3)[o:9]2)[c:19]1[C:20]#[N:21].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[H:36][H:37].[Pd:39]>>[CH3:1][c:2]1[c:3](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:4]([N:22]2[CH2:23][CH:24]([N:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]2)[c:5]2[c:6]([n:7][c:8](-[c:10]3[c:11]([NH2:16])[cH:12][cH:13][cH:14][cH:15]3)[o:9]2)[c:19]1[C:20]#[N:21]Participants
6
Sources & evidence
- ORD record
- ord-b59f3c3e6cbe49e2ba5665a499da5f25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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